methyl 2-[(4-chlorophenyl)methylsulfanyl]-1-azabicyclo[2.2.2]octane-3-carboxylate

Systemtic Name: methyl 2-[(4-chlorophenyl)methylsulfanyl]-1-azabicyclo[2.2.2]octane-3-carboxylate Openeye Name: methyl 2-[(4-chlorophenyl)methylsulfanyl]quinuclidine-3-carboxylate CAS Name: 2-[(4-chlorophenyl)methylthio]-1-azabicyclo[2.2.2]octane-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(4-chlorophenyl)methylsulfanyl]-1-azabicyclo[2.2.2]octane-3-carboxylate Traditional Name: 2-[(4-chlorobenzyl)thio]quinuclidine-3-carboxylic acid methyl ester Formula: C16H20ClNO2S MolecularWeight: 325.8535

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CCN(C1SCC3=CC=C(C=C3)Cl)CC2

Isomeric SMILES

COC(=O)C1C2CCN(C1SCC3=CC=C(C=C3)Cl)CC2

InChI

InChI=1S/C16H20ClNO2S/c1-20-16(19)14-12-6-8-18(9-7-12)15(14)21-10-11-2-4-13(17)5-3-11/h2-5,12,14-15H,6-10H2,1H3